SCHEMBL1906019

SCHEMBL1906019

CCc1ccnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
NR4A3 Q92570 1/20 0.44
MDM2 Q00987 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 7/20 0.40
CYP2C18 P33260 5/20 0.40
CYP2C8 P10632 4/20 0.40
ADORA2B P29275 1/20 0.40
CYP2C19 P33261 4/20 0.40
PDE10A Q9Y233 1/20 0.38
GAA P10253 1/20 0.38
MAPK14 Q16539 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PPARG P37231 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4859521 0.85 POLB (0.48) POLBNR4A3MDM2ALDH1A1TSHR
SCHEMBL30097884 0.84 MAPK9 (0.42) POLBALDH1A1MAPT
SCHEMBL30097887 0.82 ELANE (0.44) POLB
SCHEMBL14790220 0.81 ALDH1A1 (0.37) POLBALDH1A1TSHRLMNAGAA
SCHEMBL15790735 0.81 ABHD16A (0.41) ALDH1A1L3MBTL1TSHRLMNACYP2C9
SCHEMBL23116885 0.80 POLB (0.52) POLBMDM2ALDH1A1MAPK1TSHR
SCHEMBL16815749 0.80 POLB (0.52) POLBNR4A3MDM2ALDH1A1L3MBTL1
SCHEMBL27239129 0.79 POLB (0.47) POLBMDM2ALDH1A1TSHRLMNA
SCHEMBL27804634 0.78 KDM5A (0.52) POLBMDM2ALDH1A1LMNACYP2C9
SCHEMBL2987627 0.77 POLB (0.48) POLBMDM2ALDH1A1CYP2C9CYP2C18

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
WO-2022270977-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2022-12-29 WO disclosed
US-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8324133-B2 Fungicide 2-pyridyl-methylene-carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2012-12-04 US disclosed
WO-2012158413-A2 PYRROLIDINYL UREA AND PYRROLIDINYL THIOUREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-22 WO disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 WO disclosed
US-20100010048-A1 Fungicide 2-pyridyl-methylene-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 POLB 4390/4885NR4A3 797/4885MDM2 4660/4885
US-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 POLB 4428/4885NR4A3 1109/4885MDM2 1904/4885
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION UGT2B17, TACR2, UGT1A1 POLB 1209/4885NR4A3 1994/4885MDM2 2985/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 POLB 4515/4885NR4A3 2589/4885MDM2 3828/4885
US-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, ACHE, NISCH POLB 4550/4885NR4A3 3214/4885MDM2 1650/4885
US-20100010048-A1 Fungicide 2-pyridyl-methylene-carboxamide derivatives CYP51A1, ME2, ME3 POLB 3219/4885NR4A3 1763/4885MDM2 3028/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.